 | | Z94 | | Name: | N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide | | Formula: | C11 H11 N3 O3 | | SMILES: | CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O | | InChi: | InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)/t9-/m0/s1 | | Synonyms: | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID | | Definition date: | 2009-12-14 | | Last modified: | 2020-06-17 | | Identifier: | N-[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]ethanamide |
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 | | YPG | | Name: | [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y
l]-3-oxidanylidene-propyl]phosphonic acid | | Formula: | C14 H22 N6 O10 P2 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3CN(C[CH]3OC[CH](O)[P](O)(O)=O)C(=O)CC[P](O)(O)=O | | InChi: | InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10+/m1/s1 | | Synonyms: | [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | | Definition date: | 2016-01-12 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-18 | | Identifier: | [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-yl]-3-oxidanylidene-propyl]phosphonic acid |
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 | | IP9 | | Name: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane
-1,2-diyl dioctanoate | | Formula: | C25 H50 O22 P4 | | SMILES: | O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC | | InChi: | InChI=1S/C25H50O22P4/c1-3-5-7-9-11-13-18(26)41-15-17(43-19(27)14-12-10-8-6-4-2)16-42-51(39,40)47-22-20(28)23(44-48(30,31)32)25(46-50(36,37)38)24(21(22)29)45-49(33,34)35/h17,20-25,28-29H,3-16H2,1-2H3,(H,39,40)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t17-,20+,21+,22-,23+,24-,25-/m1/s1 | | Synonyms: | L-a-Phosphatidyl-D-myo-inositol 3,4,5-triphosphate, dioctanoyl | | Definition date: | 2010-07-28 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate |
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 | | IPE | | Name: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE | | Formula: | C5 H12 O7 P2 | | SMILES: | O=P(OP(=O)(O)O)(OCCC(=C)C)O | | InChi: | InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8) | | Synonyms: | ISOPENTENYL PYROPHOSPHATE | | Definition date: | 2005-03-16 | | Last modified: | 2020-06-17 | | Identifier: | 3-methylbut-3-en-1-yl trihydrogen diphosphate |
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 | | ZA2 | | Name: | [(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON | | Formula: | C8 H10 B Cl N O4 | | SMILES: | O[B-](O)(O)CNC(=O)c1ccccc1Cl | | InChi: | InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1 | | Synonyms: | 2-CHLOROBENZAMIDOMETHYLBORONIC ACID | | Definition date: | 2010-12-15 | | Last modified: | 2020-06-17 | | Identifier: | [(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron |
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 | | ZAA | | Name: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid | | Formula: | C29 H26 N4 O4 | | SMILES: | O=C(O)Cc1nn(nc1Cc4cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5 | | InChi: | InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35) | | Synonyms: | 2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID | | Definition date: | 2007-12-06 | | Last modified: | 2020-06-17 | | Identifier: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid |
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 | | ZC0 | | Name: | Contezolid | | Formula: | C18 H15 F3 N4 O4 | | SMILES: | C1C(C=CN(C1)c2c(F)cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O | | InChi: | InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1 | | Synonyms: | MRX-I | | Definition date: | 2020-04-29 | | Last modified: | 2020-06-17 | | Release date: | 2020-06-03 | | Identifier: | 1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1H)-one |
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 | | IQP | | Name: | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | | Formula: | C14 H17 N3 O2 S | | SMILES: | O=S(=O)(c2c1ccncc1ccc2)N3C(C)CNCC3 | | InChi: | InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m0/s1 | | Synonyms: | H-7 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-{[(2S)-2-methylpiperazin-1-yl]sulfonyl}isoquinoline |
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 | | IQS | | Name: | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | | Formula: | C12 H15 N3 O2 S | | SMILES: | O=S(=O)(c1cccc2c1ccnc2)NCCNC | | InChi: | InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3 | | Synonyms: | H-8 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide |
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 | | ZDA | | Name: | 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate) | | Formula: | C10 H16 N5 O11 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C | | InChi: | InChI=1S/C10H16N5O11P3/c1-5-6(24-28(19,20)26-29(21,22)25-27(16,17)18)2-7(23-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1 | | Synonyms: | 2',5'-DIDEOXYADENOSINE 3'-TRIPHOSPHATE | | Definition date: | 2014-10-29 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-02 | | Identifier: | 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate) |
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 | | IRB | | Name: | (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid | | Formula: | C17 H10 Br N3 O4 | | SMILES: | ON=C1C(Nc2ccc(cc12)C(O)=O)=C3C(=O)Nc4c(Br)cccc34 | | InChi: | InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,19,25H,(H,20,22)(H,23,24)/b15-12-,21-14+ | | Synonyms: | Indirubin-3'-monoxime derivative, (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-[2,3'-biindolinylidene]-5-carboxylic acid | | Definition date: | 2009-12-01 | | Last modified: | 2020-06-17 | | Identifier: | (2Z,3E)-2-(7-bromo-2-oxo-1H-indol-3-ylidene)-3-hydroxyimino-1H-indole-5-carboxylic acid |
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 | | IRC | | Name: | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl
]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate | | Formula: | C27 H46 N7 O18 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(O)CC(C)C | | InChi: | InChI=1S/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,19-,20-,21+,25-/m1/s1 | | Synonyms: | (R)-2-hydroxy-4-methylpentanoyl-CoA | | Definition date: | 2010-07-28 | | Last modified: | 2020-06-17 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxy-4-methylpentanethioate (non-preferred name) |
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 | | ZDM | | Name: | nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C21 H40 O11 | | SMILES: | O(CCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | | InChi: | InChI=1S/C21H40O11/c1-2-3-4-5-6-7-8-9-29-20-18(28)16(26)19(13(11-23)31-20)32-21-17(27)15(25)14(24)12(10-22)30-21/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1 | | Synonyms: | nonyl-beta-D-maltoside | | Definition date: | 2011-03-03 | | Last modified: | 2020-06-17 | | Identifier: | nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | IRH | | Name: | isorhamnetin | | Formula: | C16 H12 O7 | | SMILES: | COc1c(O)ccc(c1)C=3Oc2cc(O)cc(c2C(C=3O)=O)O | | InChi: | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 | | Synonyms: | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one | | Definition date: | 2018-08-30 | | Last modified: | 2020-06-17 | | Release date: | 2019-01-23 | | Identifier: | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one |
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 | | YSA | | Name: | 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE | | Formula: | C19 H23 N7 O8 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccc(O)cc4 | | InChi: | InChI=1S/C19H23N7O8S/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1 | | Synonyms: | TYROSYLADENYLATE | | Definition date: | 2004-03-02 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(L-tyrosylsulfamoyl)adenosine |
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 | | YSH | | Name: | 1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID | | Formula: | C16 H17 N3 O3 | | SMILES: | N#Cc1c(OCC(C)(C)C)ccc(c1)n2ncc(c2)C(=O)O | | InChi: | InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21) | | Synonyms: | Y-700 | | Definition date: | 2004-04-05 | | Last modified: | 2020-06-17 | | Identifier: | 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid |
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 | | ZED | | Name: | L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S | | Formula: | C15 H19 N O3 S2 | | SMILES: | O=C(N2C(C(=O)O)CC(Sc1ccccc1)C2)C(C)CS | | InChi: | InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1 | | Synonyms: | ZOFENOPRILAT | | Definition date: | 2005-11-11 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-L-proline |
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 | | YSV | | Name: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2-
methylenecyclohexane-1,3-diol | | Formula: | C27 H44 O3 | | SMILES: | OC(C)(C)CCCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C | | InChi: | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22-,23+,24-,25-,27-/m1/s1 | | Synonyms: | 2-methylidene-19-nor-1alpha,25-dihydroxyvitamin D3 | | Definition date: | 2016-03-30 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-07 | | Identifier: | (1R,3R,7E,17beta)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol |
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 | | IS2 | | Name: | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | | Formula: | C9 H12 N O4 P | | SMILES: | CCc1ccc(NC(=O)[P](O)(O)=O)cc1 | | InChi: | InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14) | | Synonyms: | ISO24 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | (4-ethylphenyl)carbamoylphosphonic acid |
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 | | ZER | | Name: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | | Formula: | C18 H22 O5 | | SMILES: | O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C | | InChi: | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 | | Synonyms: | Zearalenone | | Definition date: | 2014-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-26 | | Identifier: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione |
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 | | YT5 | | Name: | Moiramide B | | Formula: | C25 H31 N3 O5 | | SMILES: | CC=CC=CC(=O)N[CH](CC(=O)N[CH](C(C)C)C(=O)[CH]1[CH](C)C(=O)NC1=O)c2ccccc2 | | InChi: | InChI=1S/C25H31N3O5/c1-5-6-8-13-19(29)26-18(17-11-9-7-10-12-17)14-20(30)27-22(15(2)3)23(31)21-16(4)24(32)28-25(21)33/h5-13,15-16,18,21-22H,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,32,33)/b6-5+,13-8+/t16-,18-,21+,22-/m0/s1 | | Synonyms: | (2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxi
danylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide | | Definition date: | 2016-06-09 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-10 | | Identifier: | (2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide |
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 | | ISJ | | Name: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid | | Formula: | C10 H10 O6 | | SMILES: | O=C(O)C1=CC(O/C(C(=O)O)=C)C(O)C=C1 | | InChi: | InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1 | | Synonyms: | Chorismic Acid | | Definition date: | 2011-08-29 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid |
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 | | ZXU | | Name: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl
)prop-2-enoyl]-L-tyrosinamide | | Formula: | C36 H32 N2 O12 | | SMILES: | N(C(C(=O)NCCCOC=1C(=O)c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)Cc4ccc(cc4)O)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O | | InChi: | InChI=1S/C36H32N2O12/c39-22-7-2-19(3-8-22)14-24(38-31(46)11-5-20-4-9-25(41)27(43)15-20)36(48)37-12-1-13-49-35-33(47)32-29(45)17-23(40)18-30(32)50-34(35)21-6-10-26(42)28(44)16-21/h2-11,15-18,24,39-45H,1,12-14H2,(H,37,48)(H,38,46)/b11-5+/t24-/m0/s1 | | Synonyms: | synthetic Montbretin A analogue | | Definition date: | 2019-03-22 | | Last modified: | 2020-06-17 | | Release date: | 2020-02-12 | | Identifier: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-tyrosinamide |
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 | | ZGA | | Name: | Zaragozic acid A | | Formula: | C35 H46 O14 | | SMILES: | O=C(O)C1(O)C(OC2(OC1(C(=O)O)C(OC(=O)/C=C/C(C)CC(C)CC)C2O)CCC(=C)C(OC(=O)C)C(C)Cc3ccccc3)C(=O)O | | InChi: | InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1 | | Synonyms: | (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-eno
yl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | | Definition date: | 2011-10-27 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid (non-preferred name) |
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 | | YTZ | | Name: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide | | Formula: | C9 H9 N3 O2 S2 | | SMILES: | O=S(=O)(Nc1nccs1)c2ccc(N)cc2 | | InChi: | InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) | | Synonyms: | Sulfathiazole | | Definition date: | 2011-10-14 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide |
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